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    Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy / X. Zhang, Yo. Liu, M. S. Molokeev [et al.] // Angew. Chem. Int. Ed. - 2024. - Vol. 63, Is. 7. - Ст. e202318401, DOI 10.1002/anie.202318401. - Cited References: 24. - The authors would like to acknowledge Zhuohong Yin for useful discussions and experimental time for the 4W2 beamline in the Beijing synchrotron radiation facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants T2222017, 12274425, 22133004, 11974360 and 51890864) and the CAS Project for Young Scientists in Basic Research (YSBR-024). M.S. Molokeev would like to acknowledge support fromthe Ministry of Science and High Education of the Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 1433-7851. - ISSN 1521-3773
   Перевод заглавия: Реализация постоянной нулевой сжимаемости в широком диапазоне давлений в Cu2GeO4 с помощью микроскопической стратегии ортогонального плетения
Кл.слова (ненормированные):
Zero area compressibility -- Orthogonal-Braiding -- High pressure -- Copper-based oxides -- First-principles calculation
Аннотация: Zero area compressibility (ZAC) is an extremely rare mechanical response that exhibits an invariant two-dimensional size under hydrostatic pressure. All known ZAC materials are constructed from units in two dimensions as a whole. Here, we propose another strategy to obtain the ZAC by microscopically orthogonal-braiding one-dimensional zero compressibility strips. Accordingly, ZAC is identified in a copper-based compound with a planar [CuO4] unit, Cu2GeO4, that possesses an area compressibility as low as 1.58(26) TPa-1 over a wide pressure range from ~0 GPa to 21.22 GPa. Based on our structural analysis, the subtle counterbalance between the shrinkage of [CuO4] and the expansion effect from the increase in the [CuO4]-[CuO4] dihedral angle attributes to the ZAC response. High-pressure Raman spectroscopy, in combination with first-principles calculations, shows that the electron transfer from in-plane bonding dx2-y2 to out-of-plane nonbonding dz2 orbitals within copper atoms causes the counterintuitive extension of the [CuO4]-[CuO4] dihedral angle under pressure. Our study provides an understanding on the pressure-induced structural evolution of copper-based oxides at an electronic level and facilitates a new avenue for the exploration of high-dimensional anomalous mechanical materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
University of the Chinese Academy of Sciences, Beijing 100049, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Xingyu; Liu, Youquan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xu, Bohui; Jiang, Xingxing; Lin, Zheshuai
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Realizing persistent zero area compressibility over a wide pressure range in Cu2GeO4 by microscopic orthogonal-braiding strategy / X. Zhang, Yo. Liu, M. S. Molokeev [et al.] // Angew. Chem. - 2024. - Vol. 136, Is. 7. - Ст. e202318401, DOI 10.1002/ange.202318401. - Cited References: 24. - The authors would like to acknowledge Zhuohong Yin for useful discussions and experimental time for the 4W2 beamline in the Beijing synchrotron radiation facility (BSRF). This work was supported by the National Scientific Foundations of China (Grants T2222017, 12274425, 22133004, 11974360 and 51890864) and the CAS Project for Young Scientists in Basic Research (YSBR-024). M.S. Molokeev would like to acknowledge support fromthe Ministry of Science and High Education of the Russian Federation (Project No. FSRZ-2023-0006) . - ISSN 0044-8249. - ISSN 1521-3757
Кл.слова (ненормированные):
Zero area compressibility -- Orthogonal-Braiding -- High pressure -- Copper-based oxides -- First-principles calculation
Аннотация: Zero area compressibility (ZAC) is an extremely rare mechanical response that exhibits an invariant two-dimensional size under hydrostatic pressure. All known ZAC materials are constructed from units in two dimensions as a whole. Here, we propose another strategy to obtain the ZAC by microscopically orthogonal-braiding one-dimensional zero compressibility strips. Accordingly, ZAC is identified in a copper-based compound with a planar [CuO4] unit, Cu2GeO4, that possesses an area compressibility as low as 1.58(26) TPa-1 over a wide pressure range from ≈0 GPa to 21.22 GPa. Based on our structural analysis, the subtle counterbalance between the shrinkage of [CuO4] and the expansion effect from the increase in the [CuO4]-[CuO4] dihedral angle attributes to the ZAC response. High-pressure Raman spectroscopy, in combination with first-principles calculations, shows that the electron transfer from in-plane bonding dx2-y2 to out-of-plane nonbonding dz2 orbitals within copper atoms causes the counterintuitive extension of the [CuO4]-[CuO4] dihedral angle under pressure. Our study provides an understanding on the pressure-induced structural evolution of copper-based oxides at an electronic level and facilitates a new avenue for the exploration of high-dimensional anomalous mechanical materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
University of the Chinese Academy of Sciences, Beijing 100049, China
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Zhang, Xingyu; Liu, Youquan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xu, Bohui; Jiang, Xingxing; Lin, Zheshuai
}
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Krylova, S. N.
Calculation of the phonon spectrum of PbMnBO4 crystal using density functional theory / S. N. Krylova // Crystallogr. Rep. - 2023. - Vol. 68, Is. 5. - P. 788-796, DOI 10.1134/S1063774523600436. - Cited References: 31. - This study was supported by the Russian Foundation for Basic Research, project no. 21-52-12018 NNIO_а . - ISSN 1063-7745. - ISSN 1562-689X
Аннотация: The phonon dispersion and Raman spectrum of the PbMnBO4 ferromagnetic crystal have been calculated within the density functional theory. Imaginary phonon branches have been observed at the points Y, Z, and Г and along the X–S direction of the Brillouin zone, which indicates structural instability and a possible phase transition with variation in external factors (temperature and pressure). The shapes of vibrations and symmetry types of the normal modes of the crystal at the center of the Brillouin zone have been determined. The calculation results are compared with the experimental and theoretical spectra from other studies. It is shown that the vibrational mode of highest intensity at 692.5 cm–1 in the spectrum and the mode at 272.3 cm–1, corresponding to the experimental modes at 690.5 and 224.7 cm–1, are bending vibrations of oxygen atoms in distorted MnO6 octahedra.

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Публикация на русском языке Крылова, Светлана Николаевна. Расчет фононного спектра кристалла PbMnBo4 в рамках теории функционала плотности [Текст] / С. Н. Крылова. - 10 с. // Кристаллография. - 2023. - Т. 68 № 5. - С. 799-808

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Крылова, Светлана Николаевна
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    Беляев, Борис Афанасьевич.
    Формулы электродинамики для сред с отрицательной диэлектрической проницаемостью / Б. А. Беляев, В. В. Тюрнев // Ural Radio Eng. J. - 2023. - Vol. 7, Is. 4. - P. 457-469, DOI 10.15826/urej.2023.7.4.006. - Cited References: 15 . - ISSN 2588-0454. - ISSN 2588-0462
   Перевод заглавия: Electrodynamic formulas for media with negative permittivity
Кл.слова (ненормированные):
Отрицательная диэлектрическая проницаемость -- квазистатический расчет -- потенциал заряда -- электрическая емкость -- добротность материала -- Negative permittivity -- quasistatic calculation -- charge potential -- capacity -- quality factor of the material
Аннотация: Формулы электродинамики, широко используемые при описании объектов, содержащих диэлектрические среды, дают противоречащие физике результаты в случае, когда диэлектрическая проницаемость среды принимает отрицательное значение. Проблему снимают уточненные формулы, позволяющие рассчитывать электрические потенциалы точечного заряда и точечного дипольного момента, емкость конденсатора, а также плотность энергии электромагнитного поля и добротность материала. Формулы справедливы для любых сред, как с положительной, так и с отрицательной действительной частью комплексной диэлектрической проницаемости.
Electrodynamic formulas widely used in the description of objects containing dielectric media give results contrary to physics in the case when the permittivity of the medium takes a negative value. The problem is solved by refined formulas that allow calculating the electric potentials of the point charge and the point dipole moment, the capacitance of the capacitor, as well as the energy density of the electromagnetic field and the quality factor of the material. The formulas are valid for any media, both with positive and negative real part of the complex permittivity.

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Держатели документа:
Институт физики им. Л. В. Киренского СО РАН, Россия, 660036, г. Красноярск, Академгородок 50, строение 38
Сибирский федеральный университет, Россия, 660041, г. Красноярск, Проспект Свободный, 79

Доп.точки доступа:
Тюрнев, Владимир Вениаминович; Tyurnev, V. V.; Belyaev, B. A.
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Phase transitions and p–T phase diagram of the multiferroic TbFe3(BO3)4 crystal / A. Krylov, M. Pavlovskiy, Y. Kitaev [et al.] // J. Raman Spectrosc. - 2022. - Vol. 53, Is. 6. - P. 1179-1187, DOI 10.1002/jrs.6341. - Cited References: 48. - Russian Foundation for Basic Research; RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, Grant/Award Number: 20-42-240009; Russian Foundation for Basic Research and DFG (Deutsche Forschungsgemeinschaft), Grant/Award Numbers: 448809307, 21-52-12018 . - ISSN 0377-0486. - ISSN 1097-4555

РУБ Spectroscopy
Рубрики:
BILBAO CRYSTALLOGRAPHIC SERVER
RAMAN-SPECTRA
HIGH-TEMPERATURE
Кл.слова (ненормированные):
ab initio calculation -- ferroborate -- multiferroic -- phase transitions -- p-T phase diagram
Аннотация: The structural phase transitions in multiferroic TbFe3(BO3)4 with change hydrostatic pressures and temperatures have been studied by Raman spectroscopy and calculation within density functional theory. Lattice dynamics calculations in the TbFe3(BO3)4 crystal in the ��32 phase under various values of applied hydrostatic pressure (from 0 up to 5 GPa with 1 GPa step) were performed. The calculation performed in this work in a TbFe3(BO3)4 crystal showed that the applied pressure can increase the phase transition temperature. Raman spectra of the TbFe3(BO3)4 crystal have been investigated at simultaneously high temperature and high pressure (up to 5.14 GPa and 465 K). The appearance of a soft mode was observed with decreasing temperature at normal pressure. The manifestations of the interaction of the structural and magnetic order parameters in the range from 13 to 50 K were observed at normal pressure. With increasing pressure and a fixed temperature, recovery of the soft modes is also observed. The experimental p–T phase diagram of TbFe3(BO3)4 was established. An increase in pressure leads to an increase in the temperature of transition.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk, Russia.
Siberian Fed Univ, Photon & Laser Technol, Krasnoyarsk, Russia.
Ioffe Inst, Politekhnicheskaya 26, St Petersburg, Russia.
Huazhong Univ Sci & Technol, State Key Lab Mat Proc & Die & Mould Technol, Wuhan, Peoples R China.
Huazhong Univ Sci & Technol, Sch Mat Sci & Engn, Wuhan, Peoples R China.

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Pavlovskiy, M. S.; Павловский, Максим Сергеевич; Kitaev, Y.; Gudim, I. A.; Гудим, Ирина Анатольевна; Andryshin, N. D.; Андрюшин, Никита Дмитриевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Jiang, Qinghui; Krylova, S. N.; Крылова, Светлана Николаевна; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science [20-42-240009]; Russian Foundation for Basic Research and DFG (Deutsche Forschungsgemeinschaft)German Research Foundation (DFG) [448809307, 21-52-12018]
}
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Effect of substitution on magnetic moments of iron and chromium atoms in MAX phases of type (Cr4 – xFex)0.5SiC: Theoretical calculation / F. N. Tomilin, A. A. Shubin, V. V. Kozak [et al.] // Phys. Met. Metallogr. - 2022. - Vol. 123, Is. 7. - P. 640-644, DOI 10.1134/S0031918X22070195. - Cited References: 25. - The study is supported by the Russian Science Foundation (project no. 21-12-00226) and by the Interagency Supercomputer Center of the Russian Academy of Sciences (MVS-100K and MVS-10P) . - ISSN 0031-918X
Кл.слова (ненормированные):
theory of density functional -- MAX phases -- substitution effect
Аннотация: MAX phases are a family of ternary layered compounds with formal stoichiometry M2AX and have a layered hexagonal structure. Calculations with the B3LYP density functional show that, by varying the ratio between the chromium and iron in the MAX phase (Cr4 – xFex)0.5SiC, it is possible to change the lattice parameters and the magnetic moment on metal atoms. In this phase, a partial substitution of one metal for the other can be considered a technique of intended variation of their magnetic properties.

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Публикация на русском языке Влияние замещения на магнитные моменты атомов железа и хрома в МАХ-фазах вида (Cr4–xFex)0.5SiC. Теоретический расчет [Текст] / Ф. Н. Томилин, А. А. Шубин, В. В. Козак [и др.] // Физ. металлов и металловед. - 2022. - Т. 123 № 7. - С. 682-686

Держатели документа:
Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kyungpook National University, Gyeongbuk Province, Daegu, South Korea

Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Shubin, A. A.; Kozak, V. V.; Ivanova, D. A.; Fedorova, N. A.; Ol’shevskaya, Y. S.; Kovaleva, A. V.; Avramov, P. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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Raman spectroscopy of SrLnCuS3 (Ln = La, Nd, Tm): experiment and ab initio calculation / S. N. Krylova, V. А. Chernyshev, A. V. Ruseikina [et al.] // XVIII International Feofilov symposium on spectroscopy of crystals doped with rare earth and transition metal ions (IFS-2022) : book of abstracts : Aug. 22-27, 2022, Moscow, Russia. - 2022. - P. 71-72. - Библиогр.: 8. - The work of Krylova S. was financially supported by the Russian Foundation for Basic Research and DFG project number No 21-52-12018. The research of Ruseikina A. was supported by the Tyumen region within the framework of the grant agreement in the form of a grant to non-profit organizations no. 89-don dated 07.12.2020. Chernyshev V. thanks the Ministry of Science and Higher Education of the Russian Federation (project no. FEUZ-2020-0054) for financial support. . - ISBN 978-5-89513-513-6
Аннотация: The Raman spectra of SrLaCuS3, SrNdCuS3, SrTmCuS3 compounds have been investigated. Ab initio calculations of the crystal structure and phonon spectrum of the compounds have been carried out. The types and wave numbers of the fundamental modes have been determined. The experimental Raman spectra have been interpreted.

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Держатели документа:
Kirensky Institute of Physics, FRC KSC SB RAS, Krasnoyarsk, 660036, Russia
Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, 620002, Russia
Institute of Chemistry, University of Tyumen, Tyumen, 625003, Russia

Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Chernyshev, V. А.; Ruseikina, A. V.; Grigoriev, M. V.; Aleksandrovskiy, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; International Feofilov symposium on spectroscopy of crystals doped with rare earth and transition metal ions(18 ; 2022 ; Aug. ; Moscow); Физический институт им. П.Н. Лебедева РАН; Институт спектроскопии РАН
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Satsuk, S. A.
Micromagnetic modeling of the polycrystalline structure effect to the hysteresis loop in ferromagnetic nanowire / S. A. Satsuk, S. V. Komogortsev // Journal of Physics: Conference Series. - 2021. - Vol. 1847, Is. 1. - Ст. 012045, DOI 10.1088/1742-6596/1847/1/012045. - Cited References: 32. - This work was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project 18-42-240006
Кл.слова (ненормированные):
Crystallite size -- Ferromagnetic materials -- Ferromagnetism -- Hysteresis -- Hysteresis loops -- Nanowires -- Ferromagnetic nanowire -- Magnetic anisotropy constant -- Magnetic anisotropy energy -- Micromagnetic modeling -- Micromagnetic simulations -- Non-monotonic dependence -- Numerical calculation -- Polycrystalline structure -- Magnetic anisotropy
Аннотация: Extensive micromagnetic simulation results of the hysteresis loops in ferromagnetic nanowire with randomly oriented crystallites ordered in one chain is presented. Three main contributions to the magnetic energy of the wire had been taken into account: exchange, dipole-dipole, and the magnetic anisotropy energy of the crystallite. In cases where one of the three contributions to the energy can be neglected, the numerical calculations are in good agreement with the results of the well-known, analytically studied micromagnetic problems. In the case when all three contributions are comparable, a complex non-monotonic dependence of the coercive force on the crystallite size and the magnetic anisotropy constant is observed. In order to interpret these changes, a new micromagnetic scale is introduced, which takes into account all three contributions to the magnetic energy of the wire, and performs a correct transition to the analytically studied limits, which take into accountthe competition of any two contributions.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 50 Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Сацук, Светлана Александровна; Dynamic Systems and Computer Science: Theory and Applications(2021 : Oct. 19-22 ; Irkutsk, Russian Federation)
}
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Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations / S. Krylova, I. Gudim, A. Aleksandrovsky [et al.] // Ferroelectrics. - 2021. - Vol. 575, Is. 1. - P. 11-17, DOI 10.1080/00150193.2021.1888219. - Cited References: 27. - This work was supported by the Russian Foundation for Basic Research Grant No. 20-42-240009 . - ISSN 0015-0193. - ISSN 1563-5112

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
HOFE3(BO3)4
   TEMPERATURE
   SPECTRA
   GROWTH
Кл.слова (ненормированные):
Borates -- ab initio calculation -- electronic bands -- crystal structure
Аннотация: NdFe3(BO3)4 and NdGa3(BO3)4 crystals are of great interest due to their physical properties. For example, NdFe3(BO3)4 crystal demonstrates magnetodielectric and magnetopiezoelectric effects, and NdGa3(BO3)4 crystal possesses luminescent and nonlinear optical properties. In this work, the properties of these materials are calculated by the plane-wave pseudo-potential method based on density functional theory. The structures of the crystals are optimized. The electronic structure of NdFe3(BO3)4 and NdGa3(BO3)4 are calculated.

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Держатели документа:
Kirensky Inst Phys FRC KSC SB RAS, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Gudim, I. A.; Гудим, Ирина Анатольевна; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; Russian Foundation for Basic Research GrantRussian Foundation for Basic Research (RFBR) [20-42-240009]
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10.

    Glass crystallization making red phosphor for high-power warm white lighting / T. Hu, L. Ning, Y. Gao [et al.] // Light Sci. Appl. - 2021. - Vol. 10, Is. 1. - Ст. 56, DOI 10.1038/s41377-021-00498-6. - Cited References: 50. - The present work was supported by the National Natural Science Foundations of China (Grant Nos. 51972118, 51961145101, 51722202 and 11974022), the Guangzhou Science & Technology Project (202007020005), the Fundamental Research Funds for the Central Universities (D2190980), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137) . - ISSN 2095-5545
   Перевод заглавия: Кристаллизация стекла с синтезом красного люминофора для мощного теплого белого освещения
Кл.слова (ненормированные):
Aluminosilicate glass -- First-principles calculation -- Glass crystallization -- Luminous efficiency -- Preparation method -- Solid state lighting -- Solid-state lighting technology -- Stable luminescence -- Light emission
Аннотация: Rapid development of solid-state lighting technology requires new materials with highly efficient and stable luminescence, and especially relies on blue light pumped red phosphors for improved light quality. Herein, we discovered an unprecedented red-emitting Mg2Al4Si5O18:Eu2+ composite phosphor (λex = 450 nm, λem = 620 nm) via the crystallization of MgO–Al2O3–SiO2 aluminosilicate glass. Combined experimental measurement and first-principles calculations verify that Eu2+ dopants insert at the vacant channel of Mg2Al4Si5O18 crystal with six-fold coordination responsible for the peculiar red emission. Importantly, the resulting phosphor exhibits high internal/external quantum efficiency of 94.5/70.6%, and stable emission against thermal quenching, which reaches industry production. The maximum luminous flux and luminous efficiency of the constructed laser driven red emitting device reaches as high as 274 lm and 54 lm W−1, respectively. The combinations of extraordinary optical properties coupled with economically favorable and innovative preparation method indicate, that the Mg2Al4Si5O18:Eu2+ composite phosphor will provide a significant step towards the development of high-power solid-state lighting.

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Держатели документа:
School of Physics and Optoelectronics, State Key Laboratory of Luminescent Materials and Devices and Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, South China University of Technology, Guangzhou, Guangdong, China
Anhui Key Laboratory of Optoelectric Materials Science and Technology, Key Laboratory of Functional Molecular Solids, Ministry of Education, Anhui Normal University, Wuhu, Anhui, China
School of Applied Physic and Materials, Wuyi University, Jiangmen, Guangdong, China
Ministry of Education Key Laboratory of Bioinorganic and Synthetic Chemistry, State Key Laboratory of Optoelectronic Materials and Technologies, KLGHEI of Environment and Energy Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-sen University, Guangzhou, Guangdong, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, Russian Federation
Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology Beijing, Beijing, China

Доп.точки доступа:
Hu, T.; Ning, L.; Gao, Y.; Qiao, J.; Song, E.; Chen, Z.; Zhou, Y.; Wang, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ke, X.; Xia, Z.; Zhang, Q.
}
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11.

Shinkorenko, A. S.
Magnetic, electronic, and optical properties of the tetraborates NiB4O7 and CoB4O7 in three structural modifications / A. S. Shinkorenko, V. I. Zinenko, M. S. Pavlovskii // Phys. Solid State. - 2021. - Vol. 63, Is. 3. - P. 468-476, DOI 10.1134/S1063783421030173. - Cited References: 22. - This study was supported by the Russian Foundation for Basic Research, project no. 18-32-00919 mol_a . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter

Кл.слова (ненормированные):
ab initio calculation -- behavior under pressure -- phase diagram -- dielectrics -- band structure -- magnetic properties
Аннотация: The physical properties of the NiB4O7 and CoB4O7 tetraborate compounds in three structural modifications with the sp. gr. Pbca, Cmcm, and P6522 have been calculated using the density functional theory in the VASP software package. The pressure dependences of the enthalpy of the compounds in the investigated structural modifications have been calculated. The calculated electron densities of states and band structures showed that the compounds under study in all the considered modifications are dielectrics with a band gap of 3–4 eV. The calculation of the magnetic exchange constants in the Heisenberg model have shown qualitative agreement with the experiment.

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Публикация на русском языке Шинкоренко, Алексей Сергеевич. Магнитные, электронные и оптические свойства тетраборатов NiB4O7 и CoB4O7 в трех структурных модификациях [Текст] / А. С. Шинкоренко, В. И. Зиненко, М. С. Павловский // Физ. тверд. тела. - 2021. - Т. 63 Вып. 3. - С. 376-384

Держатели документа:
Russian Acad Sci, Siberian Branch, Krasnoyarsk Sci Ctr, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Шинкоренко, Алексей Сергеевич; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-32-00919 mol_a]
}
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12.

Method of anisotropic metasurface unit cell surface impedance calculation / K. V. Lemberg, A. N. Kosmynin, A. M. Aleksandrin [et al.] // Conference Proceedings - 2021 Radiation and Scattering of Electromagnetic Waves, RSEMW 2021 : Institute of Electrical and Electronics Engineers, 2021. - P. 273-275, DOI 10.1109/RSEMW52378.2021.9494126. - Cited References: 8. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20-47-243002
Кл.слова (ненормированные):
metasurface antenna -- anisotropic metasurface -- surface impedance -- holographic beamforming
Аннотация: High gain antennas based on metasurfaces with modulated surface impedance are a new class of antennas that have appeared in the last decade. They characterized by a simple design, but a relatively complex synthesis procedure. The paper briefly describes the modulated metasurface antennas principle of operation, and gives a specific method for calculating the anisotropic cell impedance tensor based on the calculation of cell eigenmodes in the infinite surface approximation. The method is intended for use at the first stage of the metasurface antenna synthesis, which consists in creating a database of cell tensorial impedances.

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Держатели документа:
Scientific Instrumentation Laboratory, Kirensky Institute of Physics, Krasnoyarsk, Russian Federation
Matrix Wave LLC, Moscow, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Lemberg, K. V.; Лемберг, Константин Вячеславович; Kosmynin, A. N.; Aleksandrin, A. M.; Grushevsky, E. O.; Грушевский, Евгений Олегович; Podshivalov, I. V.; Подшивалов, Иван Валерьевич; Radiation and Scattering of Electromagnetic Waves(2021 ; 28 June - 2 July ; Divnomorskoe, Russia)
}
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13.

Domain structure and magnetization reversal in multilayer structures consisting of thin permalloy films separated with nonmagnetic interlayers / B. A. Belyaev, N. M. Boev, A. V. Izotov, P. N. Solovev // Russ. Phys. J. - 2021. - Vol. 64, Is. 6. - P. 1160-1167, DOI 10.1007/s11182-021-02436-w. - Cited References: 30. - This work was financially supported by the Ministry of Science and Higher Education under agreement No. 075-11-2019-054 November 22, 2019 . - ISSN 1064-8887. - ISSN 1573-9228

РУБ Physics, Multidisciplinary
Рубрики:
MICROMAGNETIC CALCULATION
   MAGNETOMETER
   SIMULATION
   NOISE
Кл.слова (ненормированные):
micromagnetic modeling -- multilayer magnetic film -- domain structure -- hysteresis loop -- microstrip resonator -- magnetic field sensor
Аннотация: Using numerical micromagnetic modeling, we have investigated the development of domain structure and magnetization reversal in multilayer thin-film structures. The permalloy (Ni80Fe20) magnetic layers had the inplane uniaxial and perpendicular magnetic anisotropy. We found that as the thickness of nonmagnetic interlayers decreases, the in-plane configuration of magnetic moments in the permalloy layers transforms from a single domain state to stripe domains, which is caused by the increase of magnetostatic interaction between layers. In structures with "thick" interlayers, even weak magnetostatic interaction enforces the neighboring single domain permalloy layers to have opposite orientations of magnetic moments. The saturation field of such samples increases linearly with the number of layers. By analyzing the dynamic characteristics of multilayers, we determined the optimum number of layers ensuring the maximum conversion efficiency of wideband microwave microstrip sensors of weak magnetic fields.

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Публикация на русском языке Доменная структура и процессы перемагничивания многослойных систем из тонких пленок пермаллоя с немагнитными прослойками [Текст] / Б. А. Беляев, Н. М. Боев, А. В. Изотов, П. Н. Соловьев // Изв. вузов. Физика. - 2021. - Т. 64 № 6. - С. 170-176

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Belyaev, B. A.; Беляев, Борис Афанасьевич; Boev, N. M.; Боев, Никита Михайлович; Izotov, A. V.; Изотов, Андрей Викторович; Solovev, P. N.; Соловьев, Платон Николаевич; Ministry of Science and Higher EducationMinistry of Science and Higher Education, PolandEuropean Commission
}
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14.

Maximova, O. A.
Analytical calculation of dielectric permittivity tensor from magneto-optical ellipsometry measurements / O. Maximova, S. Ovchinnikov, S. Lyaschenko // J. Phys. A. - 2021. - Vol. 54, Is. 29. - Ст. 295201, DOI 10.1088/1751-8121/abfe72. - Cited References: 24. - This study was supported by the Government of the Russian Federation (Agreement No. 075-15-2019-1886) . - ISSN 1751-8113. - ISSN 1751-8121

РУБ Physics, Multidisciplinary + Physics, Mathematical
Рубрики:
FILMS
Кл.слова (ненормированные):
ellipsometry -- dielectric permittivity tensor -- ferromagnetics -- transverse magneto-optical Kerr effect
Аннотация: Magneto-optical ellipsometry combines ellipsometry and magneto-optical Kerr effect measurements which are two powerful techniques. The main difficulty is usually in data processing as a number of parameters should be extracted from measured ellipsometric (ψ, Δ) and magneto-ellipsometric (δψ, δΔ) parameters. Standard procedure of solving magneto-ellipsometry equations involves numerical calculations. In this paper we show that it is possible to find out all elements of dielectric permittivity tensor without numerical calculation methods. It means that the inverse problem of magneto-optical ellipsometry can be solved analytically in the case of expansion of magneto-ellipsometric parameters δψ and δΔ with respect to two small parameters. We present a full set of mathematical expressions that enable us to calculate complex refraction index and complex magneto-optical parameter of a sample from magneto-optical ellipsometry measurements, thereby obtaining diagonal and off-diagonal complex elements of dielectric permittivity tensor. This analytical approach can be used in case of the contribution from magnetism into reflection coefficients being small.

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Держатели документа:
Kirensky Inst Phys SB RAS, 50-38 Akademgorodok, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Pr, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Lyashchenko, S. A.; Лященко, Сергей Александрович; Максимова, Ольга Александровна; Government of the Russian Federation [075-15-2019-1886]
}
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15.

Choice of the DFT functional for calculation electronic properties of (CrFe)SiC MAX phases / A. Shubin, J. Olshevskaya, A. Kovaleva, F. N. Tomilin // International workshop on the properties of functional MAX-materials (2nd FunMax) : book of abstracts / org. com. M. Farle [et al.]. - 2021. - P. 47

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Доп.точки доступа:
Farle, M. \org. com.\; Ovchinnikov, S. G. \org. com.\; Овчинников, Сергей Геннадьевич; Tarasov, A. S. \org. com.\; Тарасов, Антон Сергеевич; Smolyarova, T. E. \org. com.\; Смолярова, Татьяна Евгеньевна; Shubin, A.; Olshevskaya, J.; Kovaleva, A.; Tomilin, F. N.; Томилин, Феликс Николаевич; International workshop on functional MAX-materials(2 ; 2021 ; Sept. 14-17 ; Krasnoyarsk (on-line)); Kirensky Institute of Physics; Siberian Federal Univercity
}
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16.

Non-chemical fluorination of hexagonal boron nitride by high-energy ion irradiation / S. Entani [et al.] // Nanotechnology. - 2020. - Vol. 31, Is. 12. - Ст. 125705, DOI 10.1088/1361-6528/ab5bcc. - Cited References: 53 . - ISSN 0957-4484. - ISSN 1361-6528
Кл.слова (ненормированные):
Hexagonal boron nitride -- heteroatom doping -- high-energy ion irradiation -- near edge X-ray absorption fine structure -- ab initio calculation
Аннотация: Two-dimensional materials such as hexagonal boron nitride (h-BN) and graphene have attracted wide attention in nanoelectronics and spintronics. Since their electronic characteristics are strongly affected by the local atomic structure, the heteroatom doping could allows us to tailor the electronic and physical properties of two-dimensional materials. In this study, a non-chemical method of heteroatom doping into h-BN under high-energy ion irradiation was demonstrated for the LiF/h-BN/Cu heterostructure. Spectroscopic analysis of chemical states on the relevant atoms revealed that 6 ± 2% fluorinated h-BN are obtained by the irradiation of 2.4 MeV Cu2+ ions with the fluence up to 1014 ions/cm2. It was shown that the high-energy ion irradiation leads to a single-sided fluorination of h-BN by the formation of the fluorinated sp 3-hybridized BN.

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Держатели документа:
National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute, Takasaki, 370-1292, JAPAN
National University of Science and Technology MISiS, Moscow, RUSSIAN FEDERATION
Kirensky Institute of Physics, Krasnoyarsk, RUSSIAN FEDERATION
Ritsumeikan University College of Science and Engineering Graduate School of Science and Engineering, Kusatsu, Shiga, JAPAN
Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577, Sendai, JAPAN
Research Institute for Applied Mechanics, Kyushu University, Kasuga, JAPAN
National Institutes for Quantum and Radiological Science and Technology Takasaki Advanced Radiation Research Institute, Takasaki, JAPAN
Inorganic Nanomaterials lab, Nacional'nyj issledovatel'skij tehnologiceskij universitet MISiS, Moscow, Moscow, RUSSIAN FEDERATION

Доп.точки доступа:
Entani, Shiro; Larionov, K. V.; Ларионов, Константин В.; Popov, Z. I.; Попов, Захар Иванович; Takizawa, Masaru; Mizuguchi, Masaki; Watanabe, Hideo; Li, Songtian; Naramoto, Hiroshi; Sorokin, Pavel B.; Sakai, Seiji
}
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17.

Optical properties of the HoGa3(BO3)4 crystal: experiment and ab initio calculation / S. N. Krylova, A. S. Aleksandrovsky, E. M. Roginskii [et al.] // Ferroelectrics. - 2020. - Vol. 559, Is. 1. - P. 135-140, DOI 10.1080/00150193.2020.1722015. - Cited References: 22. - This work was supported by the Russian Foundation for Basic Research (grant No 18-02-00754) . - ISSN 0015-0193
Кл.слова (ненормированные):
HoGa3(BO3)4 -- ab initio calculation -- absorption spectrum -- band structure
Аннотация: Single crystal of HoGa3(BO3)4 has been grown using solution-melt synthesis. The optical band gap determined from the measured absorption spectrum is due to direct allowed transition and equals to 4.14 eV. The optical properties of this crystal are calculated by the plane-wave pseudo-potential method based on density functional theory. The structure of the crystal has been optimized. The electronic structure of HoGa3(BO3)4 is calculated. The experimental and theoretical fundamental absorption spectra are compared. The calculated bandgap is in good agreement with the experimental data.

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Держатели документа:
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Ioffe Institute, St. Petersburg, Russian Federation
St. Petersburg State University, St. Petersburg, Russian Federation
Moscow Institute of Physics and Technology, Dolgoprudny, Russian Federation

Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Roginskii, E. M.; Krylov, A. A.; Gudim, I. A.; Гудим, Ирина Анатольевна; Vtyurin, A. N.; Втюрин, Александр Николаевич
}
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18.

    Two-Magnon Relaxation Processes in Nanocrystalline Thin Magnetic Films / A. V. Izotov [et al.] // Russ. Phys. J. - 2019. - Vol. 61, Is. 12. - P. 2313-2320, DOI 10.1007/s11182-019-01673-4. - Cited References: 25. - This research was done with support of the Russian Ministry of Education and Science, task No. 3.1031.2017/PCh. . - ISSN 1064-8887. - ISSN 1573-9228
Рубрики:
FERROMAGNETIC-RESONANCE LINEWIDTH
   MICROMAGNETIC CALCULATION
   SCATTERING
Кл.слова (ненормированные):
micromagnetic simulation -- nanocrystallites -- random magnetic anisotropy -- ferromagnetic resonance -- microwave frequencies -- two-magnon relaxation process
Аннотация: Numerical analysis of the micromagnetic model was used to reveal the ‘resonance’ feature of relaxation processes in nanocrystalline thin magnetic films. This feature manifests itself in the form of sharp broadening of the ferromagnetic resonance (FMR) line at a certain frequency f1 depending on magnetic characteristics of the film, and is observed only in films the thickness of which exceeds some threshold value dmin. Sharp broadening of the FMR line is accompanied by significant shift of the resonance field, whereas the shift value changes the sign at frequency ~ f1. It was shown analytically that the nature of observed effects is associated with the two-magnon process of spin waves scattering on quasi-periodic magnetic microstructure – magnetization ‘ripple’. Obtained expressions for the threshold value of film thickness dmin and frequency of maximum broadening of FMR line f1 agree well with the results of numerical computation of micromagnetic model.

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Публикация на русском языке Особенности двухмагнонных процессов релаксации в нанокристаллических тонких магнитных пленках [Текст] / А. В. Изотов [и др.] // Изв. вузов. Физика. - 2018. - Т. 61 № 12. - С. 153-159

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Kirensky Inst Phys, Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk, Russia.

Доп.точки доступа:
Izotov, A. V.; Изотов, Андрей Викторович; Belyaev, B. A.; Беляев, Борис Афанасьевич; Solovev, P. N.; Соловьев, Платон Николаевич; Boev, N. M.; Боев, Никита Михайлович; Russian Ministry of Education and Science [3.1031.2017/PCh]
}
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19.

    Study of Peculiarities of the Microwave Absorption Spectrum of Nanocrystalline Thin Magnetic Films / B. A. Belyaev [et al.] // Russ. Phys. J. - 2019. - Vol. 61, Is. 10. - P. 1798-1805, DOI 10.1007/s11182-019-01603-4. - Cited References: 22. - This work was supported by the Ministry of Education and Science of the Russian Federation, project No. RFMEFI60417X0179. . - ISSN 1064-8887. - ISSN 1573-9228
Рубрики:
MICROMAGNETIC CALCULATION
   SIMULATIONS
   PARTICLES
   MODES
Кл.слова (ненормированные):
micromagnetic modeling -- nanocrystallites -- random magnetic anisotropy -- ferromagnetic resonance -- microwave
Аннотация: Based on the micromagnetic model which takes into account the random distribution of the uniaxial magnetic anisotropy directions in crystallites of a nanocrystalline film, an effective method has been implemented for calculation of the magnetization dynamics in microwave fields. For a certain range of crystallite sizes, when the energy of the random magnetic anisotropy is comparable to the exchange energy, a significant change of the ferromagnetic resonance field, broadening of the resonance line, and the appearance of an asymmetry in the shape of the resonance curve were found. With an increase of the crystallite sizes, the resonance field first grows, then, it quickly decreases to its minimum, and then, it grows again to reach saturation. In this case, the steepness of the left slope of the broadening resonance curve first decreases faster than that of the right slope, leading to the symmetry breaking of the resonance curve shape, then, the curve becomes symmetrical again, and then, the steepness of the left slope becomes greater than that of the right slope.

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Публикация на русском языке Исследование особенностей спектра СВЧ-поглощения нанокристаллических тонких магнитных пленок [Текст] / Б. А. Беляев [и др.] // Изв. вузов. Физика. - 2018. - Т. 61 № 10. - С. 50-56

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Fed Res Ctr KSC, Siberian Branch, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Belyaev, B. A.; Беляев, Борис Афанасьевич; Boev, N. M.; Боев, Никита Михайлович; Izotov, A. V.; Изотов, Андрей Викторович; Solovev, P. N.; Соловьев, Платон Николаевич; Ministry of Education and Science of the Russian Federation [RFMEFI60417X0179]
}
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20.

Calculation and Comparison of Electronic, Vibrational, Polarization, and Magnetic Properties of Double Perovskites CaMnTi2O6 and CaFeTi2O6 / N. D. Andryushin, V. I. Zinenko, M. S. Pavlovskii, A. S. Shinkorenko // J. Exp. Theor. Phys. - 2019. - Vol. 129, Is. 6. - P. 1036-1044, DOI 10.1134/S1063776119110013. - Cited References: 18. - This work was supported by the Russian Foundation for Basic Research (project no. 18-02-00130-a) . - ISSN 1063-7761
Кл.слова (ненормированные):
Antiferromagnetism -- Crystal lattices -- Density functional theory -- Electronic properties -- Ferroelectricity -- Ground state -- Iron compounds -- Perovskite -- Spin polarization
Аннотация: Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the density functional theory. Analysis of the crystal lattice dynamics for paraelectric phase P42/nmc of both compounds has revealed that ferroelectric instability exists only in CaMnTi2O6. It is found that the structure distortion of the paraphrase of CaMnTi2O6 in the eigenvector of the unstable polar mode leads to a structure with the P42/nmc space group. The calculated spontaneous polarization for the ferroelectric phase of CaMnTi2O6 is Ps = 25 μC/cm2. The spin-polarization calculations have shown that the ground state is ferromagnetic in the CaFeTi2O6 crystal and antiferromagnetic in the CaMnTi2O6 crystal. The exchange interaction constants have been calculated using the Heisenberg model and the mean field approximation; the phase transition temperature for each compound has been estimated.

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Публикация на русском языке Расчет и сравнение электронных, колебательных, поляризационных и магнитных свойств двойных перовскитов CaMnTi2O6 и CaFeTi2O6 [Текст] / Н. Д. Андрюшин [и др.] // Журн. эксперим. и теор. физ. - 2019. - Т. 156 Вып. 6. - С. 1137-1146

Держатели документа:
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center,” Siberian Branch,Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич
}
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